[(2R,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5S)-5-(5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5S)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5S)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5S)-5-(2,4-diketo-5-methyl-hexahydropyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate Formula: C20H31N5O14P2 MolecularWeight: 627.432762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)N)C)O

Isomeric SMILES

CC1CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=NC4=O)N)C)O

InChI

InChI=1S/C20H31N5O14P2/c1-9-5-24(19(28)22-17(9)21)15-3-11(26)13(37-15)7-36-41(33,34)39-12-4-16(38-14(12)8-35-40(30,31)32)25-6-10(2)18(27)23-20(25)29/h5,10-16,26H,3-4,6-8H2,1-2H3,(H,33,34)(H2,21,22,28)(H,23,27,29)(H2,30,31,32)/t10?,11-,12-,13+,14+,15+,16-/m0/s1